N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine

C10H18F3NS — CID 80626744

IUPACN-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCCS1
InChIInChI=1S/C10H18F3NS/c1-2-14-8(5-6-10(11,12)13)9-4-3-7-15-9/h8-9,14H,2-7H2,1H3
InChIKeyHJZNXCYQDNLIOJ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine

N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine (PubChem CID 80626744) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine
PubChem CID80626744
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine
SMILESCCNC(CCC(F)(F)F)C1CCCS1
InChIInChI=1S/C10H18F3NS/c1-2-14-8(5-6-10(11,12)13)9-4-3-7-15-9/h8-9,14H,2-7H2,1H3
InChIKeyHJZNXCYQDNLIOJ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine (CID 80626744) is N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine is CCNC(CCC(F)(F)F)C1CCCS1.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine?
The InChIKey is HJZNXCYQDNLIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-2-14-8(5-6-10(11,12)13)9-4-3-7-15-9/h8-9,14H,2-7H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(thiolan-2-yl)butan-1-amine is sourced from PubChem (CID 80626744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).